6-(4-methoxyphenyl)-N-[1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 365020
• Molecular Formular: C25H24N4O3
• Molecular Mass: 428.48306
• Monoisotopic Mass: 428.18484065
• SMILES: c1(c(n(nc1)c1ccccc1)C)C(NC(=O)c1c(=O)[nH]c(cc1)c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)c1ccc(c(=O)[nH]1)C(=O)NC(c1cnn(c1C)c1ccccc1)C
• InChI: InChI=1S/C25H24N4O3/c1-16(22-15-26-29(17(22)2)19-7-5-4-6-8-19)27-24(30)21-13-14-23(28-25(21)31)18-9-11-20(32-3)12-10-18/h4-16H,1-3H3,(H,27,30)(H,28,31)
• InChIKey: UACBHVJZZXNTPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxyphenyl)-N-[1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 6-(4-methoxyphenyl)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: 6-(4-methoxyphenyl)-N-[1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.117069
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5873961
• LogD (pH = 7.4): 2.5867612
• Log P: 2.5874996
• Molar Refractivity: 125.5276 cm^3
• Polarizability: 47.28314 Å^3
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.36
• LOG S: -7.13
• Polar Surface Area: 89.01 Å^2
• Rotatable Bonds: 5